Cyclohexyl-methyl-β-D-maltoside

Catalog	DGS260804646
CAS	260804-64-6
Structure
Synonyms	Cyclohexylmethyl-4-O-(a-D-glucopyranosyl)-b-D-glucopyranoside
IUPAC Name	(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-(cyclohexylmethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	438.5
Molecular Formula	C19H34O11
InChI	InChI=1S/C19H34O11/c20-6-10-12(22)13(23)15(25)19(28-10)30-17-11(7-21)29-18(16(26)14(17)24)27-8-9-4-2-1-3-5-9/h9-26H,1-8H2/t10-,11-,12-,13+,14-,15-,16-,17-,18-,19-/m1/s1
InChI Key	BBUKPWNPDDHXDR-CRINDFDSSA-N
Boiling Point	695.1±55.0 °C (Predicted)
Purity	≥99%
Density	1.47±0.1 g/cm³ (Predicted)
Solubility	≥20% (in water at 20 °C)
Complexity	517
Conductance	<40 μS (10% solution in water)
Critical Micelle Concentration	(H2O) ~ 340 mM (15%)
Exact Mass	438.21011190
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	7
Isomeric SMILES	C1CCC(CC1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
Monoisotopic Mass	438.21011190
pH	5-8 (1% solution in water)
pKa	12.89±0.70 (Predicted)
Rotatable Bond Count	7
Storage Conditions	2-8 °C
Topological Polar Surface Area	179 Ų
XLogP3-AA	-1.8